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3376-24-7 molecular structure
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(E)-N-tert-butyl-1-phenylmethenimine oxide

ChemBase ID: 180550
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
C(=[N+](\[O-])/C(C)(C)C)/c1ccccc1
Canonical SMILES:
CC(/[N+](=C\c1ccccc1)/[O-])(C)C
InChI:
InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
InChIKey:
IYSYLWYGCWTJSG-FMIVXFBMSA-N

Cite this record

CBID:180550 http://www.chembase.cn/molecule-180550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-tert-butyl-1-phenylmethenimine oxide
IUPAC Traditional name
(E)-N-tert-butyl-1-phenylmethenimine oxide
Synonyms
N-tert-Butyl-alpha-phenylnitrone
CAS Number
3376-24-7
PubChem SID
164236460
PubChem CID
10313352

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB95618 external link Add to cart Please log in.
Data Source Data ID
PubChem 10313352 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.659285  LogD (pH = 7.4) 2.6592858 
Log P 2.6592858  Molar Refractivity 56.8585 cm3
Polarizability 20.817497 Å3 Polar Surface Area 28.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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